2-[4-[3,3-bis(4-methylphenyl)prop-2-enylsulfanyl]-3-bromanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-methylphenyl)prop-2-enylsulfanyl]-3-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(p-tolyl)allylsulfanyl]-3-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-methylphenyl)prop-2-enylthio]-3-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-methylphenyl)prop-2-enylsulfanyl]-3-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(p-tolyl)allylthio]-3-bromo-phenoxy]acetic acid Formula: C25H23BrO3S MolecularWeight: 483.41732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H23BrO3S/c1-17-3-7-19(8-4-17)22(20-9-5-18(2)6-10-20)13-14-30-24-12-11-21(15-23(24)26)29-16-25(27)28/h3-13,15H,14,16H2,1-2H3,(H,27,28)